SCHEMBL9868508

SCHEMBL9868508

CCOC(=O)c1ncc(CC)c(COC)c1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.49
GABRG2 P18507 11/20 0.49
GABRB3 P28472 11/20 0.49
GABRA5 P31644 11/20 0.49
GABRA3 P34903 11/20 0.49
GABRA2 P47869 9/20 0.49
GABRA6 Q16445 7/20 0.49
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRB2 P47870 6/20 0.49
GABRA4 P48169 6/20 0.49
GABRE P78334 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NR1H2 P55055 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9513741 0.83 CA12 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9868685 0.77 BRD4 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9869982 0.75 ADORA3 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29329014 0.74 RAB9A (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10465784 0.72 TSHR (0.47) HPGDALDH1A1MAPTCA12CA1
SCHEMBL9434187 0.71 BRD4 (0.49) HPGDALDH1A1MAPTNR1H2NR1H3
SCHEMBL31623843 0.70 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5846548 0.70 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30968739 0.70 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9586331 0.69 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997947-A Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed